SCHEMBL971220

SCHEMBL971220

CC(C)(C)OC(=O)c1cn[c]cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 13/20 0.40
GABRB3 P28472 13/20 0.40
GABRA1 P14867 12/20 0.40
GABRA2 P47869 12/20 0.40
GABRA5 P31644 12/20 0.40
GABRA3 P34903 11/20 0.40
GABRA6 Q16445 10/20 0.40
GABRA4 P48169 5/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRE P78334 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
HPGDS O60760 1/20 0.38
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL972686 0.79 MAPK1 (0.47) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL1894555 0.75
SCHEMBL1019178 0.74 GABRG2 (0.46) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2441798 0.74 CNR2 (0.39) HPGDS
SCHEMBL29700722 0.73 GABRG2 (0.44) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL988761 0.73 POLB (0.54) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL29444266 0.73 KDM4E (0.52) ALDH1A1MAPT
SCHEMBL29208228 0.73 GABRG2 (0.44) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2929844 0.73 KDM4E (0.52) ALDH1A1MAPT
SCHEMBL2439990 0.72

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD GABRG2 2427/4885GABRB3 2825/4885GABRA1 2787/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 GABRG2 1891/4885GABRB3 2329/4885GABRA1 2441/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD GABRG2 2427/4885GABRB3 2825/4885GABRA1 2787/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK GABRG2 2431/4885GABRB3 2859/4885GABRA1 2972/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 GABRG2 2733/4885GABRB3 2328/4885GABRA1 3536/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.